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Calcium in PDB 3sic: Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)

Enzymatic activity of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)

All present enzymatic activity of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor):
3.4.21.62;

Protein crystallography data

The structure of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor), PDB code: 3sic was solved by Y.Mitsui, Y.Takeuchi, K.T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.200, 185.900, 69.500, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) (pdb code 3sic). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor), PDB code: 3sic:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3sic

Go back to Calcium Binding Sites List in 3sic
Calcium binding site 1 out of 2 in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca501

b:7.2
occ:1.00
OE1 E:GLN2 2.2 12.3 1.0
O E:LEU75 2.2 9.3 1.0
OD1 E:ASP41 2.3 6.3 1.0
O E:VAL81 2.3 5.4 1.0
OD2 E:ASP41 2.4 9.8 1.0
O E:ILE79 2.4 9.1 1.0
OD1 E:ASN77 2.5 7.2 1.0
CG E:ASP41 2.8 7.6 1.0
CD E:GLN2 3.4 11.4 1.0
C E:LEU75 3.4 10.1 1.0
CG E:ASN77 3.5 7.9 1.0
C E:VAL81 3.6 6.3 1.0
C E:ILE79 3.6 9.5 1.0
N E:VAL81 3.7 6.5 1.0
CG E:GLN2 4.0 12.2 1.0
N E:ASN77 4.0 11.8 1.0
C E:GLY80 4.0 7.4 1.0
ND2 E:ASN77 4.1 7.3 1.0
CA E:GLY80 4.2 6.8 1.0
CA E:LEU75 4.3 8.0 1.0
CB E:ASP41 4.3 7.5 1.0
CA E:VAL81 4.3 6.0 1.0
N E:ASN76 4.3 9.7 1.0
N E:GLY80 4.3 9.0 1.0
N E:LEU75 4.3 7.9 1.0
NE2 E:GLN2 4.5 11.2 1.0
CA E:ASN76 4.5 11.5 1.0
N E:ILE79 4.6 7.9 1.0
N E:LEU82 4.6 6.3 1.0
CB E:ASN77 4.6 8.8 1.0
CB E:LEU75 4.6 9.3 1.0
CB E:GLN2 4.7 11.7 1.0
CA E:ILE79 4.7 8.8 1.0
CG1 E:ILE79 4.7 11.1 1.0
C E:ALA74 4.7 7.8 1.0
CA E:ASN77 4.8 9.0 1.0
C E:ASN76 4.8 12.6 1.0
O E:GLY80 4.8 3.5 1.0
CA E:LEU82 4.8 7.8 1.0
C E:ASN77 4.9 10.1 1.0
CB E:ALA74 4.9 7.0 1.0
O E:ALA74 5.0 9.1 1.0
CA E:ASP41 5.0 8.4 1.0

Calcium binding site 2 out of 2 in 3sic

Go back to Calcium Binding Sites List in 3sic
Calcium binding site 2 out of 2 in the Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca502

b:40.3
occ:1.00
O E:HOH630 2.7 33.1 1.0
O E:GLY169 2.9 16.6 1.0
O E:TYR171 2.9 18.2 1.0
OD2 E:ASP197 3.0 18.7 1.0
O E:GLU195 3.0 19.1 1.0
O E:HOH631 3.0 25.8 1.0
O E:VAL174 3.0 13.8 1.0
CG E:ASP197 3.8 17.6 1.0
C E:TYR171 3.8 17.6 1.0
CB E:ALA176 3.8 10.6 1.0
OD1 E:ASP197 3.9 18.3 1.0
C E:GLU195 4.1 17.2 1.0
C E:GLY169 4.1 16.1 1.0
N E:ALA176 4.2 12.3 1.0
C E:VAL174 4.2 12.5 1.0
C E:LYS170 4.3 16.6 1.0
CA E:PRO172 4.3 16.9 1.0
O E:LYS170 4.3 16.3 1.0
CB E:GLU195 4.3 18.6 1.0
N E:PRO172 4.5 17.3 1.0
O E:PRO172 4.5 15.9 1.0
N E:TYR171 4.5 17.0 1.0
CA E:GLU195 4.6 17.5 1.0
C E:PRO172 4.6 15.7 1.0
CA E:ALA176 4.7 10.9 1.0
CA E:LYS170 4.8 16.8 1.0
N E:VAL174 4.8 13.0 1.0
CA E:TYR171 4.8 16.4 1.0
NH2 E:ARG247 4.8 10.2 1.0
N E:LYS170 4.8 15.4 1.0
C E:ILE175 4.9 13.0 1.0
CA E:VAL174 4.9 11.9 1.0
CB E:VAL174 4.9 11.2 1.0

Reference:

Y.Takeuchi, S.Noguchi, Y.Satow, S.Kojima, I.Kumagai, K.Miura, K.T.Nakamura, Y.Mitsui. Molecular Recognition at the Active Site of Subtilisin Bpn': Crystallographic Studies Using Genetically Engineered Proteinaceous Inhibitor Ssi (Streptomyces Subtilisin Inhibitor). Protein Eng. V. 4 501 1991.
ISSN: ISSN 0269-2139
PubMed: 1891457
DOI: 10.1093/PROTEIN/4.5.501
Page generated: Sat Jul 13 19:16:06 2024

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